Ca2RuO4 is a structurally-driven Mott insulator with a metal-insulator (MI) transition at TMI = 357K, followed by a well-separated antiferromagnetic order at TN = 110 K. Slightly substituting Ru with a 3d transition metal ion M effectively shifts TMI and induces exotic magnetic behavior below TN. Moreover, M doping for Ru produces negative thermal expansion in Ca2Ru1-xMxO4 (M = Cr, Mn, Fe or Cu); the lattice volume expands on cooling with a total volume expansion ratio reaching as high as 1%. The onset of the negative thermal expansion closely tracks TMI and TN, sharply contrasting classic negative thermal expansion that shows no relevance to electronic properties. In addition, the observed negative thermal expansion occurs near room temperature and extends over a wide temperature interval. These findings underscores new physics driven by a complex interplay between orbital, spin and lattice degrees of freedom. These materials constitute a new class of Negative Thermal Expansion (NTE) materials with novel electronic and magnetic functions.

The diagnostic imaging (DI) literature identifies that unnecessary examinations are occurring. However, there is a gap in the research literature: little is known about how physicians order DI examinations and what efforts need to be undertaken to reduce the number of inappropriate orders made by physicians. Such research is needed in order to promote patient safety and improve utilization of limited health care resources Purpose: The purpose of this study is to explore how physicians order DI services, and what efforts could be made to reduce inappropriate DI ordering. Participants: 12 English speaking, non-radiologist physicians (general practitioners and specialists) participated in this study. Methods: Semi-structured key informant interviews were conducted with participants. Data from these interviews were analyzed using a grounded theory approach. Results: DI ordering practices (both appropriate and inappropriate) emerged as the dominant theme in this research, specifically in the context of prevalence, decision-making, information support, contributing factors, and solutions. Particularly, the majority of participants felt that DI is overused in the medical field and identified contacting physicians (colleagues, specialists, or radiologists) and consulting the literature (using UpToDate® or Google Scholar) as their top methods of information support used in challenging clinical scenarios. Meanwhile, participants suggested factors that contribute to inappropriate ordering: patient demand, legal liability, and duplicate ordering. The majority of participants believed education could reduce inappropriate ordering. Participants also identified increasing communication about requisitions and restricting DI ordering authority as potential solutions to reduce inappropriate ordering. Conclusion: From the interviews, ordering (both appropriate and inappropriate ordering) emerged as the overarching theme. Findings were compared and contrasted to the current literature. Overall, this study revealed how human factors, such as patient demand, influence how a physician orders DI. As well, the majority of participants relied on the patient to recall patient DI history; however, literature suggests this method is unreliable. This study also offers unique insight into the physician’s perspective of what would be effective for reducing inappropriate ordering. These findings contribute to the field of health informatics as any technology developed to reduce inappropriate ordering (such as a clinical decision support system) needs to consider these human factors to support user acceptance. Through findings from this study, further research gaps emerged that can guide future research. / Graduate

No / This paper presents a stochastic automaton approach to stock ordering for retailers of time-limited goods, in the modern supply chain network. The rationale applied is that by ordering in small quantities frequently, overstocking will be reduced, capital liquidity improved and wastage limited. A consequence for the complete supply chain is that such an approach could substantially minimise the reactive bullwhip effect, leading to more efficient utilisation, production and agility throughout the chain. Such agility and flexibility can only be achieved by full integration of stock inventory monitoring technologies (such as RFID) with enterprise integration systems (such as ERP) connected to suppliers, mediated by the internet. We undertake a comparative simulation study of stock ordering using a stochastic automaton and a naive traditional approach. This shows that stochastic ordering, prompted by a stochastic automaton, exhibits characteristic properties that are a prerequisite for reducing the bullwhip effect, thus enabling agile inventory management.

International Telemetering Conference Proceedings / October 18-21, 2004 / Town & Country Resort, San Diego, California / Powered by single-segment switched interconnection, Ethernet can be used in time-critical data acquisition applications. Unlike synchronous time division multiple access, asynchronous packet streams result in congestions and uncertain multiplexing delays. With the delay analysis in the worst case and probabilistic guaranteeing conditions, we restrict the packet-sizes, intervals or traffic burstiness a priori to regulate delay deviations within acceptable scales. Some methods of combinatorics and stochastic theory, e.g. Cumulant Generating Function and the Large Deviation Principle, are used and verified by some simulation-based computations. The influence of time varying delay for telemetry applications is also discussed in some sense.

International Telemetering Conference Proceedings / October 23-26, 2000 / Town & Country Hotel and Conference Center, San Diego, California / In this paper, we propose applying the spatio-temporal signal processing and OFDM techniques to a multiple-antenna system in order to achieve high data rate and high performance transmission capability. In order to perform real time processing for this system, we also propose a complexity reduced QR beamforming algorithm. The performance of the proposed system has been investigated for a two-ray frequency-selective fading model by extensive computer simulations. These results show that significant benefits can be realized in terms of lower bit error rate and higher data transmission rate.

Thesis (MSc)--Stellenbosch University, 2011. / ENGLISH ABSTRACT: 2,7-dimethylocta-3,5-diyne-2,7-diol forms inclusion complexes with various guests molecules, where the guest molecules are polar-ordered. A Cambridge Structural Database (CSD) search revealed ten inclusion complexes where the guest molecules were polar-ordered. Using Density Functional Theory (DFT) computational methods (in the absence of the host), we evaluated the intra-channel and lateral guest-guest interactions between the guest molecules. Two polar-ordered inclusion complexes ((1,4,7-cyclohexane-1,2,4,5,7,8-hexaoxonane)·CHCl3 and (2,4,6-(endolongifolyl)-1,3,5-trioxane)·CDCl3) were singled out in the CSD search for further studies along with 2,7-dimethylocta-3,5-diyne-2,7-diol. Synthesis of any 1,2,4,5,7,8-hexaoxonane and 1,3,5-trioxane derivatives was attempted to establish whether the polar-ordering ability extends into the family of compounds. We managed to produce three new polar-ordered inclusion complexes with 2,7-dimethylocta-3,5-diyne-2,7-diol (ClC(CH3)3, BrC(CH3)3 and IC(CH3)3), thus extending the series to six guest polar-ordered systems. We were only able to synthesise 1,4,7-cyclohexane-1,2,4,5,7,8-hexaoxonane and produce the CHCl3 inclusion complex and one new polar-ordered inclusion complex (CHBr3). Three 1,3,5-trioxanes was synthesised (the cyclohexyl, cyclohex-3-en-1-yl and cyclopentyl derivatives), which did not include any solvents. However, these 1,3,5-trioxanes also form polar-ordered crystals. These compounds and inclusion complexes were analysed by means of single crystal X-ray diffraction to determine their crystal structures. All the crystal structures could be solved and refined to adequate accuracy (except for 2,4,6-tri(cyclopentyl)-1,3,5-trioxane) with no disorder of the guest molecules (where applicable) and their polar-ordering property investigated. Due to their vast molecular differences, these compounds were studied separately by means of visual crystal structure analysis and computational modelling techniques (Density functional theory, molecular mechanics, molecular dynamics and molecular quench dynamics). / AFRIKAANSE OPSOMMING: 2,7-dimetielokta-3,5-diyn-2,7-diol vorm insluitingskomplekse met verskeie molekules as gaste, waar die gas-molekules polêr georden is. 'n Cambridge Struktuur Databasis (CSD) soektog lewer tien insluitings komplekse waarvan die gas-molekules polêr georden is. Deur gebruik te maak van Digtheidsfunksionele teorie (DFT) berekeninge (in die afwesigheid van die gasheer) het ons die inter-kanaal en wedersydse gas-gas interaksies tussen die gas molekules geëvalueer. Twee polêr geordende insluitingskomplekse ((1,4,7-sikloheksaan-1,2,4,5,7,8-heksaoksonaan)·CHCl3 en (2,4,6-(endolongifolyl)-1,3,5-trioksaan)·CDCl3) is uitgesonder uit die CSD soektog vir verdere studies saam met 2,7-dimetielokta-3,5-diyn-2,7-diol. Aanslag was gemaak om enige 1,2,4,5,7,8-heksaoksonaan en 1,3,5-trioksaan derivate te sintetiseer en vas te stel of die polêre ordensvermoë oor die familie van verbindings strek. Ons het daarin geslaag om drie nuwe polêr geordende insluitingskomplekse op te lewer met 2,7-dimetielokta-3,5-diyn-2,7-diol (Cl(CH3)3, BrC(CH3)3 en I(CH3)3), en sodoende die reeks uitgebrei na ses gaste wat polêr geordende insluitingskomplekse vorm. Net 1,4,7-sikloheksaan-1,2,4,5,7,8-heksaoksonaan kon gesintetiseer word en dit lewer twee polêr geordende insluitingskomplekse (CHCl3 en CHBr3 (nuut)). Drie 1,3,5-trioksane is gesintetiseer (die sikloheksiel, sikloheks-3-een-1-iel en siklopentiel derivate) en het nie enige oplosmiddels (gaste) ingesluit nie. Nietemin vorm hiedie 1,3,5-trioksane ook polêr geordende kristalle. Hierdie verbindings en insluitingskomplekse is geanaliseer deur middel van enkelkristal X-straal diffraksie om hul kristalstrukture te bepaal. Alle kristalstrukture was opgelos en verwerk tot voldoende akkuraatheid (behalwe vir 2,4,6-tri(siklopentiel)-1,3,5-trioxane) met geen wanorde in die gas molekuul posisies nie (waar van toepassing) en hul polêre ordensvermoë is ondersoek. As gevolg van groot verskille in hul molekulêre strukture, is hierdie verbindings afsonderlik bestudeer deur middel van molekulêre modellerings metodes (Digtheidsfunksionele teorie, molekulêre meganika, molekulêre dinamika en molekulêre stakings dinamika).

Orbital degrees of freedom play vital role in prompting novel phenomena in ruthenium based Ruddlesden-Popper compounds through coupling of orbits to spin and lattice. Physical properties are then particularly susceptible to small perturbations by external magnetic fields and/or slight structural changes. Current study pertains to the impact when a more-extended 4d Ruthenium ion is replaced by a less-extended 3d Chromium ion. Perovskite CaRuO3 (n=∞) is characterized by borderline magnetism and non- Fermi liquid behavior – common occurrences in quantum critical compounds. Remarkably, Cr substitution as low as x=0.05 abruptly drives CaRu1−xCrxO3 from a paramagnetic state to an itinerant ferromagnetic state (MS~0.4μB/f.u.), where TC=123K for x=0.22. The Cr-driven magnetism is highly anisotropic suggesting an important role of spin-orbit coupling. Unlike other chemical substitutions in the compound, Cr does not induce any Metal-Insulator transition that is expected to accompany the magnetic transition. The results indicate a coupling of Ru-4d and Cr-3d electrons that is unexpectedly favorable for itinerant ferromagnetism, which often exists delicately in the ruthenates. Bilayered Ca3Ru2O7 (n=2), an abode of huge anisotropy, exhibits a wide range of physical properties – Colossal Magnetoresistance occurring only when the spin polarized state is avoided, Antiferromagnetic-Metallic (AFM-M) state, Quantum Oscillations (periodic in 1/B and in B) that are highly angular dependent, to mention a few. Experimental results obtained so far provide a coherent picture illustrating that orbital order and its coupling to lattice and spin degrees of freedom drive the exotic electronic and magnetic properties in this Mott-like system. Transport and thermodynamic studies on Ca3(Ru1-xCrx)2O7 (0 ≤ x ≤ 0.20) reveal that AFM-M region is broadened with x that ultimately reaches 70K for x=0.20 (~8K for x=0). In this region, electron transport is enhanced and inhibited when B is applied along crystal’s respective axes, confirming an intrinsic half-metallic behavior. Moreover, the difference in coercivities of Ru and Cr magnetic ions pave way for the first-ever observation of a strong spin-valve effect in bulk material, a quantum phenomenon so far realized only in multilayer thin films or heterostructures. This discovery opens new avenues to understand the underlying physics of spin-valves and fully realize its potential in practical devices.

Un stable (ou ensemble indépendant) est un ensemble de sommets qui sont deux à deux non adjacents. De nombreux résultats classiques en optimisation combinatoire portent sur le nombre de stabilité (défini comme la plus grande taille d'un stable), et les stables se classent certainement parmi les structures les plus simples et fondamentales en théorie des graphes. La thèse est divisée en deux parties, toutes deux liées à la notion de stables dans un graphe. Dans la première partie, nous étudions un problème de coloration de graphes, c'est à dire de partition en stables, où le but est de minimiser l'entropie de la partition. C'est une variante du problème classique de minimiser le nombre de couleurs utilisées. Nous considérons aussi une généralisation du problème aux couvertures d'ensembles. Ces deux problèmes sont appelés respectivement minimum entropy coloring et minimum entropy set cover, et sont motivés par diverses applications en théorie de l'information et en bioinformatique. Nous obtenons entre autres une caractérisation précise de la complexité de minimum entropy set cover : le problème peut être approximé à une constante lg e (environ 1.44) près, et il est NP-difficile de faire strictement mieux. Des résultats analogues sont prouvés concernant la complexité de minimum entropy coloring. Dans la deuxième partie de la thèse, nous considérons les graphes dont le nombre de stabilité augmente dès qu'une arête est enlevée. Ces graphes sont dit être "alpha-critiques", et jouent un rôle important dans de nombreux domaines, comme la théorie extrémale des graphes ou la combinatoire polyédrique. Nous revisitons d'une part la théorie des graphes alpha-critiques, donnant à cette occasion de nouvelles démonstrations plus simples pour certains théorèmes centraux. D'autre part, nous étudions certaines facettes du polytope des ordres totaux qui peuvent être vues comme une généralisation de la notion de graphe alpha-critique. Nous étendons de nombreux résultats de la théorie des graphes alpha-critiques à cette famille de facettes.

Summarization is the process of creating a more compact textual representation of a document or a collection of documents. In view of the vast increase in electronically available information sources in the last decade, filters such as automatically generated summaries are becoming ever more important to facilitate the efficient acquisition and use of required information. Different methods using natural language processing (NLP) techniques are being used to this end. One of the shallowest approaches is the clustering of available documents and the representation of the resulting clusters by one of the documents; an example of this approach is the Google News website. It is also possible to augment the clustering of documents with a summarization process, which would result in a more balanced representation of the information in the cluster, NewsBlaster being an example. However, while some systems are already available on the web, summarization is still considered a difficult problem in the NLP community. One of the major problems hampering the development of proficient summarization systems is the evaluation of the (true) quality of system-generated summaries. This is exemplified by the fact that the current state-of-the-art evaluation method to assess the information content of summaries, the Pyramid evaluation scheme, is a manual procedure. In this light, this thesis has three main objectives. 1. The development of a fully automated evaluation method. The proposed scheme is rooted in the ideas underlying the Pyramid evaluation scheme and makes use of deep syntactic information and lexical semantics. Its performance improves notably on previous automated evaluation methods. 2. The development of an automatic summarization system which draws on the conceptual idea of the Pyramid evaluation scheme and the techniques developed for the proposed evaluation system. The approach features the algorithm for determining the pyramid and bases importance on the number of occurrences of the variable-sized contributors of the pyramid as opposed to word-based methods exploited elsewhere. 3. The development of a text coherence component that can be used for obtaining the best ordering of the sentences in a summary.

Mixed metal oxynitrides have attracted attention due to their interesting chemical and physical properties in the past twenty years. In this thesis, four series of mixed metal oxynitrides have been investigated. The samples have been synthesized by both thermal ammonolysis and high pressure high temperature methods. The structural exploration covers perovskite, scheelite and pyrochlore types. The structural studies were carried out using powder X-ray and neutron diffraction, and magnetic and conducting properties have been explored. A series of new RZrO2N (R = Pr, Nd and Sm) perovskites were synthesized using high pressure high temperature methods (HPHT) via a direct solid state reaction of R2O3 with Zr2ON2. All three new phases crystallize in the orthorhombic Pnma perovskite superstructure, and the structural distortion increases with decreasing R3+ ionic radius. RZrO2N contains both R3+ and d0 Zr4+ and thus shows a potential for multiferroic properties. EuWO1-xN2+x perovskites with a wide range of nitrogen contents (-0.16 ≤ x ≤ 0.46) were synthesized by thermal ammonolysis of an oxide precursor Eu2W2O9. Ferromagnetic ordering below a Curie temperature TC =12 ± 1 K and negative colossal magnetoresistances (CMR) have been discovered in these samples. In particular, for the lowest doped sample, EuWO0.96N2.04, CMR ≥ 99.7% was observed at 7 K. The possibility of tuning the physical properties by altering the chemical composition has been demonstrated. A linear relationship between the lattice parameter and nitrogen content of EuWO1+xN2-x was observed. An investigation has been made of the Eu-Mo-O-N system. A new pyrochlore oxynitride series Eu2Mo2O6-xN2+2x/3 (0.20 ≤ x ≤ 2.25) was synthesized by ammonolysis of Eu2Mo2O7. A ferrimagnetic ordering and semiconducting behavior has been observed in these samples. A detailed structural study of SrMO2N (M = Nb, Ta) has been performed using variable temperature neutron and electron diffraction. Partial anion order has been observed in both samples up to 750 oC. It is consistent with cis-ordering of the two nitrides in each MO4N2 octahedron. At low temperatures, this order directs the tilting of the octahedron to form a pseudo-tetragonal superstructure. It creates zig-zag MN chains in two or three dimensions within the lattice. This principle can be used to predict the local structures of perovskite-related oxynitrides AMO3-xNx.